SCHEMBL994189

SCHEMBL994189

O=C(O)CCCCC(S)CS

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSTK1 Q9Y2Q3 2/20 0.63
ENPEP Q07075 5/20 0.61
FOLH1 Q04609 5/20 0.52
LMNA P02545 2/20 0.50
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
PMP22 Q01453 1/20 0.48
ANPEP P15144 2/20 0.45
FFAR4 Q5NUL3 1/20 0.44
FFAR1 O14842 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3012513 0.98 GSTK1 (0.64) GSTK1ENPEPFOLH1LMNATSHR
SCHEMBL9253547 0.98 GSTK1 (0.64) GSTK1ENPEPFOLH1LMNATSHR
SCHEMBL6361383 0.98 GSTK1 (0.64) GSTK1ENPEPFOLH1LMNATSHR
SCHEMBL2868539 0.98 GSTK1 (0.64) GSTK1ENPEPFOLH1LMNATSHR
SCHEMBL3018158 0.93 ENPEP (0.59) GSTK1ENPEPFOLH1LMNATSHR
SCHEMBL15956044 0.86 TSHR (0.60) GSTK1ENPEPFOLH1LMNATSHR
Dihydrolipoic Acid SCHEMBL867951 0.84 FOLH1 (0.56) GSTK1ENPEPFOLH1LMNATSHR
Dihydrolipoic Acid SCHEMBL1115003 0.84 FOLH1 (0.56) GSTK1ENPEPFOLH1LMNATSHR
Dihydrolipoic Acid SCHEMBL618576 0.84 FOLH1 (0.56) GSTK1ENPEPFOLH1LMNATSHR
Dihydrolipoic Acid SCHEMBL19773 0.84 FOLH1 (0.56) GSTK1ENPEPFOLH1LMNATSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050208007-A1 Composition to permanently reshape the hair containing at least one carboxydithiol L'OREAL S.A. (FR) 2005-09-22 US claimed
EP-4277636-A1 MODIFIED OLIGONUCLEOTIDES Alnylam Pharmaceuticals, Inc. (US) 2023-11-22 EP disclosed
WO-2023198857-A1 \"GOOD\" BUFFER-BASED CATIONIC LIPIDS SANOFI (FR) 2023-10-19 WO disclosed
WO-2023178167-A1 ASYMMETRIC PIPERAZINE-BASED CATIONIC LIPIDS TRANSLATE BIO, INC. (US) 2023-09-21 WO disclosed
WO-2022155418-A9 MODIFIED OLIGONUCLEOTIDES ALNYLAM PHARMACEUTICALS, INC. (US) 2023-03-09 WO disclosed
WO-2022155418-A1 MODIFIED OLIGONUCLEOTIDES ALNYLAM PHARMACEUTICALS, INC. (US) 2022-07-21 WO disclosed
WO-2021051172-A1 LIPID PRODRUGS OF CELECOXIB AND USES THEREOF MONASH UNIVERSITY (AU) 2021-03-25 WO disclosed
WO-2020251969-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-17 WO disclosed
WO-2016077581-A1 ISOSTEVIOL TRIAZOLES AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2016-05-19 WO disclosed
WO-2014085791-A2 COMPOSITIONS AND USES THEREOF FOR TREATING MULTIPLE MYELOMA SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2014-06-05 WO disclosed
WO-2006086325-A2 SYNTHESIS OF HOMOPOLYMERS AND BLOCK COPOLYMERS INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2006-08-17 WO disclosed
WO-2006074351-A2 REVERSIBLE NUCLEOTIDE TERMINATORS AND USES THEREOF AGENCOURT PERSONAL GENOMICS (US) 2006-07-13 WO disclosed
WO-2006074202-A2 SYNTHESIS OF HYBRID BLOCK COPOLYMERS AND USES THEREOF INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2006-07-13 WO disclosed
WO-2006047419-A2 HETEROBIFUNCTIONAL POLY(ETHYLENE GLYCOL) AND USES THEREOF INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2006-05-04 WO disclosed
US-20050208007-A1 Composition to permanently reshape the hair containing at least one carboxydithiol L'OREAL S.A. (FR) 2005-09-22 US disclosed
EP-1558595-A1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES JANSSEN PHARMACEUTICA N.V. (BE) 2005-08-03 EP disclosed
WO-2005063258-A1 KINASE INHIBITOR PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2005-07-14 WO disclosed
WO-2004096237-A2 PHOSPHONATE ANALOGS FOR TREATING METABOLIC DISEASES GILEAD SCIENCES, INC. (US) 2004-11-11 WO disclosed
WO-2004037801-A1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES JANSSEN PHARMACEUTICA, N.V. (BE) 2004-05-06 WO disclosed
WO-1996026933-A9 NOVEL SELECTIVE INHIBITORS OF VIRAL OR BACTERIAL NEURAMINIDASES 1996-11-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050208007-A1 Composition to permanently reshape the hair containing at least one carboxydithiol CTH, BHMT2, CRAT GSTK1 1598/4885ENPEP 564/4885FOLH1 68/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.